2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide

C100H91FN32O16 — CID 161175481

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide (PubChem CID 161175481) has the molecular formula C100H91FN32O16 and a molecular weight of 2016.03 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide
• PubChem CID: 161175481
• Molecular Formula: C100H91FN32O16
• Molecular Weight: 2016.03 g/mol
• Exact Mass: 2014.73
• IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide
• SMILES: COc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1-c1ccccc1.Cc1cc(-c2ccncc2)ccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccc(F)cc3)nn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccncc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccncc3)nn2)n(C)c1=O
• InChI: InChI=1S/C22H21N5O4.C21H20N6O3.C20H18N6O3.C19H16FN7O3.C18H16N8O3/c1-25-20-19(21(29)26(2)22(25)30)27(13-23-20)12-18(28)24-15-9-10-16(17(11-15)31-3)14-7-5-4-6-8-14;1-13-10-15(14-6-8-22-9-7-14)4-5-16(13)24-17(28)11-27-12-23-19-18(27)20(29)26(3)21(30)25(19)2;1-24-18-17(19(28)25(2)20(24)29)26(12-22-18)11-16(27)23-15-5-3-13(4-6-15)14-7-9-21-10-8-14;1-25-17-16(18(29)26(2)19(25)30)27(10-21-17)9-15(28)22-14-8-7-13(23-24-14)11-3-5-12(20)6-4-11;1-24-16-15(17(28)25(2)18(24)29)26(10-20-16)9-14(27)21-13-4-3-12(22-23-13)11-5-7-19-8-6-11/h4-11,13H,12H2,1-3H3,(H,24,28);4-10,12H,11H2,1-3H3,(H,24,28);3-10,12H,11H2,1-2H3,(H,23,27);3-8,10H,9H2,1-2H3,(H,22,24,28);3-8,10H,9H2,1-2H3,(H,21,23,27)
• InChIKey: URTBLMMEIQMNCQ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 554.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 21
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2016.03
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide?

The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide (CID 161175481) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide.

What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide?

The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide is COc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1-c1ccccc1.Cc1cc(-c2ccncc2)ccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccc(F)cc3)nn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccncc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccncc3)nn2)n(C)c1=O.

What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide?

The InChIKey is URTBLMMEIQMNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4.C21H20N6O3.C20H18N6O3.C19H16FN7O3.C18H16N8O3/c1-25-20-19(21(29)26(2)22(25)30)27(13-23-20)12-18(28)24-15-9-10-16(17(11-15)31-3)14-7-5-4-6-8-14;1-13-10-15(14-6-8-22-9-7-14)4-5-16(13)24-17(28)11-27-12-23-19-18(27)20(29)26(3)21(30)25(19)2;1-24-18-17(19(28)25(2)20(24)29)26(12-22-18)11-16(27)23-15-5-3-13(4-6-15)14-7-9-21-10-8-14;1-25-17-16(18(29)26(2)19(25)30)27(10-21-17)9-15(28)22-14-8-7-13(23-24-14)11-3-5-12(20)6-4-11;1-24-16-15(17(28)25(2)18(24)29)26(10-20-16)9-14(27)21-13-4-3-12(22-23-13)11-5-7-19-8-6-11/h4-11,13H,12H2,1-3H3,(H,24,28);4-10,12H,11H2,1-3H3,(H,24,28);3-10,12H,11H2,1-2H3,(H,23,27);3-8,10H,9H2,1-2H3,(H,22,24,28);3-8,10H,9H2,1-2H3,(H,21,23,27).

What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide?

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide has a molecular weight of 2016.03 g/mol, XLogP of 4.92, 21 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxy-4-phenylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-pyridin-4-ylpyridazin-3-yl)acetamide is sourced from PubChem (CID 161175481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).